Geometry & MOs

Info

ID:	164724
PubChem CID:	74443923
Reduced:	O4N6C15H25 (1)
Stoich.:	A4B6C15D25 (1)
Weight, g/mol:	352.185903
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792607
Charge, e:	0

Chem-info

IUPAC name:

2-[8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

Drug info:

PubChemData

Smile

CC1C[NH+](CC(O1)C)CC2=NC3C(N2CC(=O)N)C(=O)NC(=O)N3C

DOS

IR

Vibrations